Machine learning speeds up quantum chemistry calculations
https://phys.org/news/2020-10-machine-quantum-chemistry.amp
https://phys.org/news/2020-10-machine-quantum-chemistry.amp
phys.org
Machine learning speeds up quantum chemistry calculations
Quantum chemistry, the study of chemical properties and processes at the quantum scale, has opened many paths to research and discovery in modern chemistry. Without ever handling a beaker or a test tube, ...
Molecular swarm rearranges surface structures atom by atom
https://phys.org/news/2020-10-molecular-swarm-rearranges-surface-atom.amp
https://phys.org/news/2020-10-molecular-swarm-rearranges-surface-atom.amp
phys.org
Molecular swarm rearranges surface structures atom by atom
The surface of metals plays a key role in many technologically relevant areas, such as catalysis, sensor technology and battery research. For example, the large-scale production of many chemical compounds ...
Fundamental Physics: Scientists Discover the Fastest Possible Speed of Sound
https://scitechdaily.com/fundamental-physics-scientists-discover-the-fastest-possible-speed-of-sound/
https://scitechdaily.com/fundamental-physics-scientists-discover-the-fastest-possible-speed-of-sound/
SciTechDaily
Fundamental Physics: Scientists Discover the Fastest Possible Speed of Sound
A research collaboration between Queen Mary University of London, the University of Cambridge and the Institute for High Pressure Physics in Troitsk has discovered the fastest possible speed of sound. The result — about 36 km per second — is around twice…
New Clues to Chemical Origins of Metabolism at Dawn of Life | Quanta Magazine
https://www.quantamagazine.org/new-clues-to-chemical-origins-of-metabolism-at-dawn-of-life-20201012/
https://www.quantamagazine.org/new-clues-to-chemical-origins-of-metabolism-at-dawn-of-life-20201012/
Quanta Magazine
New Clues to Chemical Origins of Metabolism at Dawn of Life
The ingredients for reactions ancestral to metabolism could have formed very easily in the primordial soup, new work suggests.
Max Planck and the Birth of Quantum Mechanics – SciTechDaily
https://scitechdaily.com/max-planck-and-the-birth-of-quantum-mechanics/amp/
https://scitechdaily.com/max-planck-and-the-birth-of-quantum-mechanics/amp/
SciTechDaily
Max Planck and the Birth of Quantum Mechanics
In the early evening of Sunday, October 7, 1900—120 years ago—Max Planck found the functional form of the curve that we now know as the Planck distribution of black-body radiation. By my account, it was the birthdate of quantum mechanics. A few hours earlier…
How do you identify yourself?
Anonymous Poll
32%
Female
63%
Male
0%
Non-binary
1%
Other
3%
I'd rather not say
The first room-temperature superconductor has finally been found | Science News
https://www.sciencenews.org/article/physics-first-room-temperature-superconductor-discovery/amp
https://www.sciencenews.org/article/physics-first-room-temperature-superconductor-discovery/amp
Science News
The first room-temperature superconductor has finally been found
A compound of carbon, hydrogen and sulfur conducts electricity without resistance up to 15° C, but there’s a catch: It works only under high pressure.
Quantum Chemical Accuracy from Density Functional Approximations via Machine Learning | Nature Research Device and Materials Engineering Community
https://devicematerialscommunity.nature.com/posts/quantum-chemical-accuracy-from-density-functional-approximations-via-machine-learning
https://devicematerialscommunity.nature.com/posts/quantum-chemical-accuracy-from-density-functional-approximations-via-machine-learning
Chemistry – A European Journal Installs Early Career Advisory Board :: Advertorial :: ChemistryViews
https://www.chemistryviews.org/details/advertorial/11270815/Chemistry__A_European_Journal_Installs_Early_Career_Advisory_Board.html
https://www.chemistryviews.org/details/advertorial/11270815/Chemistry__A_European_Journal_Installs_Early_Career_Advisory_Board.html
www.chemistryviews.org
Chemistry – A European Journal Installs Early Career Advisory Board :: Advertorial :: ChemistryViews
The first Chemistry Europe journal to give early career researchers a stronger voice in the journals development
Hammett equation parameters optimised for improved predictive power | Research | Chemistry World
https://www.chemistryworld.com/news/hammett-equation-parameters-optimised-for-improved-predictive-power/4012627.article#/
https://www.chemistryworld.com/news/hammett-equation-parameters-optimised-for-improved-predictive-power/4012627.article#/
Chemistry World
Hammett equation parameters optimised for improved predictive power
Update overcomes limitations and eliminates human biases intrinsic to the original formulation
FermiNet: Quantum Physics and Chemistry from First Principles | DeepMind
https://deepmind.com/blog/article/FermiNet
https://deepmind.com/blog/article/FermiNet
Deepmind
FermiNet: Quantum Physics and Chemistry from First Principles
In an article recently published in Physical Review Research, we show how deep learning can help solve the fundamental equations of quantum mechanics for real-world systems. Not only is this an important fundamental scientific question, but it also could…
Webinar: New Horizons in Scientific Software
"New Horizons in Scientific Software: from Legacy Codes to Modular Environments"
https://www.edison.re.kr/web/nhiss/
It is our great pleasure to invite you to participate in the web conference taking place
> from Nov 23 to Nov 26, 2020. This is the first conference in a series dedicated to the
development and application of modular computational platform for the general science
and technology community. As the old-fashioned approach to developing and
maintaining computational programs becomes obsolete, an emerging concept of
software modularity offers an elegant and timely solution of the looming problems
by providing an open development ecosystem where new computational approaches
can be rapidly created from modules uploaded at the web repository by the interested
users and developers.
We have more than 20 world-renowned speakers such as Prof. Mark Gordon (ISU),
T. Daniel Crawford (Virginia Tech.), Massimo Olivucci (University of Siena),
Garnet Chan (Caltech) and others, who are actively developing the most popular
quantum mechanical software, such as GAMESS, Psi4, pySCF, Molcas, Columbus,
Newton-X, DCDFTBMD, Gellan, Libint, etc.
A free registration is now open as a first-come-first-serve basis with a limit of 500 participants
at https://us02web.zoom.us/webinar/register/WN_B9-QFW89S-OZr0e-EzpfQw?timezone_id=UTC
"New Horizons in Scientific Software: from Legacy Codes to Modular Environments"
https://www.edison.re.kr/web/nhiss/
It is our great pleasure to invite you to participate in the web conference taking place
> from Nov 23 to Nov 26, 2020. This is the first conference in a series dedicated to the
development and application of modular computational platform for the general science
and technology community. As the old-fashioned approach to developing and
maintaining computational programs becomes obsolete, an emerging concept of
software modularity offers an elegant and timely solution of the looming problems
by providing an open development ecosystem where new computational approaches
can be rapidly created from modules uploaded at the web repository by the interested
users and developers.
We have more than 20 world-renowned speakers such as Prof. Mark Gordon (ISU),
T. Daniel Crawford (Virginia Tech.), Massimo Olivucci (University of Siena),
Garnet Chan (Caltech) and others, who are actively developing the most popular
quantum mechanical software, such as GAMESS, Psi4, pySCF, Molcas, Columbus,
Newton-X, DCDFTBMD, Gellan, Libint, etc.
A free registration is now open as a first-come-first-serve basis with a limit of 500 participants
at https://us02web.zoom.us/webinar/register/WN_B9-QFW89S-OZr0e-EzpfQw?timezone_id=UTC
Cryo–electron microscopy breaks the atomic resolution barrier at last | Science | AAAS
https://www.sciencemag.org/news/2020/10/cryo-electron-microscopy-breaks-atomic-resolution-barrier-last
https://www.sciencemag.org/news/2020/10/cryo-electron-microscopy-breaks-atomic-resolution-barrier-last
Science
Cryo–electron microscopy breaks the atomic resolution barrier at last
Improvements help the technique rival x-ray crystallography
Reimagining the shape of noise leads to improved molecular models
https://phys.org/news/2020-10-reimagining-noise-molecular.amp
https://phys.org/news/2020-10-reimagining-noise-molecular.amp
phys.org
Reimagining the shape of noise leads to improved molecular models
Tenacity comes naturally to a guy who hails from the "mule capital of the world." That trait has stood Columbia, Tennessee, native Elliot Perryman in good stead as an intern at Lawrence Berkeley National ...
Physics - Imaging Molecular Structure and Charge Simultaneously
https://physics.aps.org/articles/v13/165
https://physics.aps.org/articles/v13/165
Physics
Imaging Molecular Structure and Charge Simultaneously
A new technique determines both the charge distribution and the structural distortions that result from the addition of a single charge to a molecule.
How a digital breakthrough could revolutionize drug industry
https://www.cnbc.com/amp/2020/10/24/how-a-digital-breakthrough-could-revolutionize-drug-industry.html
https://www.cnbc.com/amp/2020/10/24/how-a-digital-breakthrough-could-revolutionize-drug-industry.html
CNBC
Scientists make digital breakthrough in chemistry that could revolutionize the drug industry
At the Cronin Lab at the University of Glasgow chemists developed a robotic chemist called a "chemputer" that turns words into molecules.